N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide

C21H25N3O3 — CID 47060191

IUPACN-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
SMILESCCOc1ccccc1C(=O)NCc1cccc(NC(=O)N2CCCC2)c1
InChIInChI=1S/C21H25N3O3/c1-2-27-19-11-4-3-10-18(19)20(25)22-15-16-8-7-9-17(14-16)23-21(26)24-12-5-6-13-24/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,22,25)(H,23,26)
InChIKeyUKAZFDHPPODQSX-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.64
Rot. Bonds6

About N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide

N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 47060191) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID47060191
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
SMILESCCOc1ccccc1C(=O)NCc1cccc(NC(=O)N2CCCC2)c1
InChIInChI=1S/C21H25N3O3/c1-2-27-19-11-4-3-10-18(19)20(25)22-15-16-8-7-9-17(14-16)23-21(26)24-12-5-6-13-24/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,22,25)(H,23,26)
InChIKeyUKAZFDHPPODQSX-UHFFFAOYSA-N
XLogP3.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 52690342
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 47064652
N-[(3-aminophenyl)methyl]-2-ethoxybenzamide
CID 62499627
N-[3-(benzylcarbamoyl)phenyl]-2-ethoxybenzamide
CID 28638874
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide
CID 46415447
2-[3-[[3-(pyrrolidine-1-carbonylamino)phenyl]methylcarbamoyl]phenoxy]acetic acid
CID 119182068
ethyl 1-[N'-methyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111157145
N-[(3-acetamidophenyl)methyl]-2-(2-phenoxyethoxy)benzamide
CID 39574397
N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 60524787
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 119743695
N-[3-[[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 110942874
N-[3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 47060202

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide (CID 47060191) is N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide is CCOc1ccccc1C(=O)NCc1cccc(NC(=O)N2CCCC2)c1.
What is the InChIKey of N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is UKAZFDHPPODQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-27-19-11-4-3-10-18(19)20(25)22-15-16-8-7-9-17(14-16)23-21(26)24-12-5-6-13-24/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide?
N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-ethoxybenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 47060191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).